4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide

C9H11NO2S — CID 170797314

IUPAC4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide
SMILESNC(=O)CC=Cc1csc(CO)c1
InChIInChI=1S/C9H11NO2S/c10-9(12)3-1-2-7-4-8(5-11)13-6-7/h1-2,4,6,11H,3,5H2,(H2,10,12)
InChIKeyZTMNSWPNHIPMPW-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.13
Rot. Bonds4

About 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide

4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide (PubChem CID 170797314) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide
PubChem CID170797314
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide
SMILESNC(=O)CC=Cc1csc(CO)c1
InChIInChI=1S/C9H11NO2S/c10-9(12)3-1-2-7-4-8(5-11)13-6-7/h1-2,4,6,11H,3,5H2,(H2,10,12)
InChIKeyZTMNSWPNHIPMPW-UHFFFAOYSA-N
XLogP1.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-[3-[5-(hydroxymethyl)thiophen-3-yl]prop-2-enyl] ethanethioate
CID 169456613
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
2-[4-(4-oxobut-1-enyl)thiophen-2-yl]acetic acid
CID 170481695
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
4-(5-formyl-3-pyridinyl)but-3-enamide
CID 170797651
4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide
CID 170798712
3-[5-[[(2-amino-2-oxoethyl)-butylamino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918880
2-(4-amino-4-oxobut-1-enyl)thiophene-3-carboxylic acid
CID 170797469

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide?
The IUPAC name of 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide (CID 170797314) is 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide.
What is the SMILES notation for 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide?
The canonical SMILES for 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide is NC(=O)CC=Cc1csc(CO)c1.
What is the InChIKey of 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide?
The InChIKey is ZTMNSWPNHIPMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c10-9(12)3-1-2-7-4-8(5-11)13-6-7/h1-2,4,6,11H,3,5H2,(H2,10,12).
What are the key properties of 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide?
4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide has a molecular weight of 197.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide is sourced from PubChem (CID 170797314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).